2,2,6,6-tetramethyl-4-prop-2-enylpiperidin-1-ium-4-ol

C12H24NO+ — CID 7200585

IUPAC2,2,6,6-tetramethyl-4-prop-2-enylpiperidin-1-ium-4-ol
SMILESC=CCC1(O)CC(C)(C)[NH2+]C(C)(C)C1
InChIInChI=1S/C12H23NO/c1-6-7-12(14)8-10(2,3)13-11(4,5)9-12/h6,13-14H,1,7-9H2,2-5H3/p+1
InChIKeyMNDRQDWLHSOHFW-UHFFFAOYSA-O
MW198.33 g/mol
LogP1.21
Rot. Bonds2

About 2,2,6,6-tetramethyl-4-prop-2-enylpiperidin-1-ium-4-ol

2,2,6,6-tetramethyl-4-prop-2-enylpiperidin-1-ium-4-ol (PubChem CID 7200585) has the molecular formula C12H24NO+ and a molecular weight of 198.33 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-4-prop-2-enylpiperidin-1-ium-4-ol.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-4-prop-2-enylpiperidin-1-ium-4-ol
PubChem CID7200585
Molecular FormulaC12H24NO+
Molecular Weight198.33 g/mol
Exact Mass198.19
IUPAC Name2,2,6,6-tetramethyl-4-prop-2-enylpiperidin-1-ium-4-ol
SMILESC=CCC1(O)CC(C)(C)[NH2+]C(C)(C)C1
InChIInChI=1S/C12H23NO/c1-6-7-12(14)8-10(2,3)13-11(4,5)9-12/h6,13-14H,1,7-9H2,2-5H3/p+1
InChIKeyMNDRQDWLHSOHFW-UHFFFAOYSA-O
XLogP1.21
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-4-prop-2-enylpiperidin-1-ium-4-ol?
The IUPAC name of 2,2,6,6-tetramethyl-4-prop-2-enylpiperidin-1-ium-4-ol (CID 7200585) is 2,2,6,6-tetramethyl-4-prop-2-enylpiperidin-1-ium-4-ol.
What is the SMILES notation for 2,2,6,6-tetramethyl-4-prop-2-enylpiperidin-1-ium-4-ol?
The canonical SMILES for 2,2,6,6-tetramethyl-4-prop-2-enylpiperidin-1-ium-4-ol is C=CCC1(O)CC(C)(C)[NH2+]C(C)(C)C1.
What is the InChIKey of 2,2,6,6-tetramethyl-4-prop-2-enylpiperidin-1-ium-4-ol?
The InChIKey is MNDRQDWLHSOHFW-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H23NO/c1-6-7-12(14)8-10(2,3)13-11(4,5)9-12/h6,13-14H,1,7-9H2,2-5H3/p+1.
What are the key properties of 2,2,6,6-tetramethyl-4-prop-2-enylpiperidin-1-ium-4-ol?
2,2,6,6-tetramethyl-4-prop-2-enylpiperidin-1-ium-4-ol has a molecular weight of 198.33 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-4-prop-2-enylpiperidin-1-ium-4-ol is sourced from PubChem (CID 7200585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).